CID 28063789

1263280-70-1

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC1=NOC(=N1)[C@H]2CCCN2

InChI

InChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3/t6-/m1/s1

InChIKey

HVPGJKMIHQOPDG-ZCFIWIBFSA-N

Compound name

3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.09021 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.09749	131.8
[M+Na]+	176.07943	142.3
[M+NH4]+	171.12403	139.3
[M+K]+	192.05337	141.5
[M-H]-	152.08293	133.6
[M+Na-2H]-	174.06488	136.6
[M]+	153.08966	133.5
[M]-	153.09076	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe